CID 15579854

1-methyl-3-oxocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
CC1(CC(=O)C1)C(=O)O
InChI
InChI=1S/C6H8O3/c1-6(5(8)9)2-4(7)3-6/h2-3H2,1H3,(H,8,9)
InChIKey
GURNKGAMQJTVCQ-UHFFFAOYSA-N
Compound name
1-methyl-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

128.04735 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 126.6
[M+Na]+ 151.03657 132.0
[M+NH4]+ 146.08117 131.3
[M+K]+ 167.01051 128.5
[M-H]- 127.04007 123.4
[M+Na-2H]- 149.02202 129.1
[M]+ 128.04680 125.1
[M]- 128.04790 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe